Allyl iodide - ≥97%, stabilized with copper , CAS No.556-56-9

CAS: 556-56-9 Cat. No.: A109401 Molecular Weight: 167.98 Beilstein Registry Number: 1697594 EC Number: 209-130-4

GRADE & PURITY ≥97%, stabilized with copper

Synonyms

3-Iodopropylene | Allyliodide | 3-iodoprop-1-ene | 3-Iodo-1-propene | 3-iodo-propene

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

The interaction of allyl iodide with MoO3, Bi2O3 and molybdates of Bi, Co and Mg has been studied in the temperature range of 270-480°C
Reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes

application：

Allyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.

Specifications

Synonyms

3-Iodopropylene | Allyliodide | 3-iodoprop-1-ene | 3-Iodo-1-propene | 3-iodo-propene

Specifications & Purity

≥97%, stabilized with copper

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C=CCI
• IUPAC Name: 3-iodoprop-1-ene
• InChIKey: HFEHLDPGIKPNKL-UHFFFAOYSA-N
• INCHI: 1S/C3H5I/c1-2-3-4/h2H,1,3H2
• Isomeric SMILES: C=CCI
• WGK Germany: 1
• RTECS: UD0450000
• UN Number: 1723
• Packing Group: II
• Molecular Weight: 167.98
• Beilstein: 1697594
• Reaxy-Rn: 1697594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organoiodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organoiodides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoiodides
• Alternative Parents: Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: solubility alcohol: miscible(lit.); chloroform: miscible(lit.); diethyl ether: miscible(lit.); water: insoluble (practically)(lit.)
• Sensitivity: Light sensitive; Air sensitive; Heat sensitive
• Refractive Index: 1.5520 - 1.5560
• Flash Point(°F): 16°C
• Flash Point(°C): 16°C
• Boil Point(°C): 102°C
• Melt Point(°C): -99°C
• Molecular Weight: 167.980 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 167.944 Da
• Monoisotopic Mass: 167.944 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jia Pan, Xionglin Zhou, Huimin Gong, Zhengjun Lin, Haiyan Xiang, Xiao Liu, Xuli Chen, Huimin Li, Tang Liu, Song Liu.  (2023)  Covalently Functionalized MoS2 Initiated Gelation of Hydrogels for Flexible Strain Sensing.  ACS Applied Materials & Interfaces,      [PMID:37466084] [10.1021/acsami.3c03234]